(2-methylpropan-2-yl)oxymethylselanylbenzene

C11H16OSe — CID 11042935

IUPAC(2-methylpropan-2-yl)oxymethylselanylbenzene
SMILESCC(C)(C)OC[Se]c1ccccc1
InChIInChI=1S/C11H16OSe/c1-11(2,3)12-9-13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyVFFRXFSKKASEOA-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.79
Rot. Bonds3

About (2-methylpropan-2-yl)oxymethylselanylbenzene

(2-methylpropan-2-yl)oxymethylselanylbenzene (PubChem CID 11042935) has the molecular formula C11H16OSe and a molecular weight of 243.21 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethylselanylbenzene.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethylselanylbenzene
PubChem CID11042935
Molecular FormulaC11H16OSe
Molecular Weight243.21 g/mol
Exact Mass244.04
IUPAC Name(2-methylpropan-2-yl)oxymethylselanylbenzene
SMILESCC(C)(C)OC[Se]c1ccccc1
InChIInChI=1S/C11H16OSe/c1-11(2,3)12-9-13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyVFFRXFSKKASEOA-UHFFFAOYSA-N
XLogP1.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxymethylselanylbenzene?
The IUPAC name of (2-methylpropan-2-yl)oxymethylselanylbenzene (CID 11042935) is (2-methylpropan-2-yl)oxymethylselanylbenzene.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethylselanylbenzene?
The canonical SMILES for (2-methylpropan-2-yl)oxymethylselanylbenzene is CC(C)(C)OC[Se]c1ccccc1.
What is the InChIKey of (2-methylpropan-2-yl)oxymethylselanylbenzene?
The InChIKey is VFFRXFSKKASEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OSe/c1-11(2,3)12-9-13-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxymethylselanylbenzene?
(2-methylpropan-2-yl)oxymethylselanylbenzene has a molecular weight of 243.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethylselanylbenzene is sourced from PubChem (CID 11042935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).